Crystallography Open Database

Information card for entry 7231714

Preview

Coordinates	7231714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H88 Br2 Cl2 N6 O2
Calculated formula	C52 H88 Br2 Cl2 N6 O2
Title of publication	Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies
Authors of publication	Manna, Utsab; Das, Gopal
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	1
Pages of publication	65
a	8.9461 ± 0.0006 Å
b	16.1753 ± 0.001 Å
c	20.8774 ± 0.0017 Å
α	90°
β	100.396 ± 0.008°
γ	90°
Cell volume	2971.5 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1252
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1767
Weighted residual factors for all reflections included in the refinement	0.2168
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223518 (current)	2019-11-07	cif/ Updating files of 7231714, 7231715, 7231716, 7231717, 7231718, 7231719, 7231720, 7231721, 7231722 Original log message: Adding full bibliography for 7231714--7231722.cif.	7231714.cif
211711	2018-10-31	cif/ Adding structures of 7231714, 7231715, 7231716, 7231717, 7231718, 7231719, 7231720, 7231721, 7231722 via cif-deposit CGI script.	7231714.cif